Error retrieving band structure for mp-570997

Materials Project Materials Project Data/API
#1

Hello, friends!

Here’s a minimal example that demonstrates my issue: I’m trying to download the bandstructure for ‘mp-570997’.
Evidently, there’s a band structure:

But the following script reveals that there is an issue with retrieving it for that compound:


import pymatgen as pmg
api_key = api_key# Sub in your own :) 
mpr = pmg.ext.matproj.MPRester(api_key)

works_mpid = 'mp-22850'
fails_mpid = 'mp-570997'

for mpid in [works_mpid, fails_mpid]:
    try:
        mpr.get_bandstructure_by_material_id(mpid)
        print(mpid,' worked!')
    except:
        print(mpid,' failed!')

the_doc = mpr.get_doc(fails_mpid)

assert the_doc['has_bandstructure']

for key in ['band_structure_uniform','band_structure','has_bandstructure']:
    print(key,the_doc[key])

Thank you for all you guys do, as always :slight_smile: Please let me know if there’s any additional information I can supply!

#2

Not just for mp-570997, but for many cases, I got the error:

pymatgen.ext.matproj.MPRestError: too many indices for array: array is 0-dimensional, but 2 were indexed

This is related to:
Error in fetching band structure for specific materials id #1941

#3

Yes, this is an ongoing problem we have been tracking down. It turns out to be an issue related to pymatgen that we’re trying to fixed and incorporated so it can be dealt with.